CID 10725814

Tert-butyl n-(but-3-yn-2-yl)carbamate

Structural Information

Molecular Formula
C9H15NO2
SMILES
CC(C#C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H15NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h1,7H,2-5H3,(H,10,11)
InChIKey
AMWSEGBTTPQUKW-UHFFFAOYSA-N
Compound name
tert-butyl N-but-3-yn-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

169.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.117556 141.3
[M+Na]+ 192.099498 149.2
[M-H]- 168.103004 141.1
[M+NH4]+ 187.144103 159.5
[M+K]+ 208.073438 148.9
[M+H-H2O]+ 152.107540 130.7
[M+HCOO]- 214.108481 157.0
[M+CH3COO]- 228.124131 190.4
[M+Na-2H]- 190.084946 144.4
[M]+ 169.10973142 136.9
[M]- 169.11082858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe